4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester
TL;DR: 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester (CAS 159852-70-7) is a chemical compound with molecular formula C16H12N2O4S and molecular weight 328.0518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 14-methyl-16-oxo-8-oxa-12-thia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-13-carboxylate
Also Known As: 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester, 3-Methyl-4-oxo-4H-thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid ethyl ester, Ethyl 3-methyl-4-oxo-4H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]benzoxazole-2-carboxylate, 5-Methyl-4-oxo-4H-2,3-(epoxy[1,2]benzeno)thieno[2,3-d]pyrimidine 6-carboxylic acid ethyl ester, ethyl 14-methyl-16-oxo-8-oxa-12-thia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene-13-carboxylate
Technical Specifications
| Molecular Formula | C16H12N2O4S |
| Molecular Weight | 328.0518 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0518 Da |
| Heavy Atoms | 23 |
| Complexity | 566.0 |
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C3N(C2=O)C4=CC=CC=C4O3)C |
| InChIKey | INYMWDTXVBXBRX-UHFFFAOYSA-N |
Chemical Property Profile of 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester
Property Insights of 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester
The XLogP value of 3.4 indicates that 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester. Following Lipinski's Rule of Five, 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester?
The CAS number of 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester is 159852-70-7.
What is the molecular formula of 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester?
The molecular formula of 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester is C16H12N2O4S.
What is the molecular weight of 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester?
The molecular weight of 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester is 328.0518 g/mol.
Where can I buy 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester?
You can request a quote for 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 4H-Thieno(2',3':4,5)pyrimido(2,1-b)benzoxazole-2-carboxylic acid, 3-methyl-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.